Vitas-M small molecule compound

2-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-3,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK654312
SMILES COc1ccc(cc1)C1C=C(N=c2n1nc([nH]2)N1C(=O)C2C(C1=O)CC=CC2)c1ccc(cc1)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C26H22ClN5O3 MW 487.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClN5O3/c1-35-18-12-8-16(9-13-18)22-14-21(15-6-10-17(27)11-7-15)28-25-29-26(30-32(22)25)31-23(33)19-4-2-3-5-20(19)24(31)34/h2-3,6-14,19-20,22H,4-5H2,1H3,(H,28,29,30)
InChIKey
DKHWYTWYSWXJAQ-UHFFFAOYSA-N
Synonyms
1024577-28-3
1024577283
2(5(4CHLOROPHENYL)7(4METHOXYPHENYL)17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDIN2YL)3A477ATETRAHYDROISOINDOLE13DIONE
2(5(4chlorophenyl)7(4methoxyphenyl)37dihydro(124)triazolo(15a)pyrimidin2yl)3a477atetrahydro1Hisoindole13(2H)dione
COC1=CC=C(C=C1)C2C=C(N=C3N2NC(=N3)N4C(=O)C5CC=CCC5C4=O)C6=CC=C(C=C6)Cl
COc1ccc(cc1)C1C=C(N=c2n1nc((nH)2)N1C(=O)C2C(C1=O)CC=CC2)c1ccc(cc1)Cl
InChI=1SC26H22ClN5O3c1351812816(91318)221421(1561017(27)11715)28252926(3032(22)25)3123(33)19423520(19)24(31)34h23614192022H45H21H3(H282930)
MFCD18166983
ZINC000101008326
ZINC000239296809

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Available files

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